methyl 3-(1H-indol-3-yl)-2-[(phenylmethyl)carbamoylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[(phenylmethyl)carbamoylamino]propanoate Openeye Name: methyl 2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3/c1-26-19(24)18(11-15-13-21-17-10-6-5-9-16(15)17)23-20(25)22-12-14-7-3-2-4-8-14/h2-10,13,18,21H,11-12H2,1H3,(H2,22,23,25)